3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

C20H13BrF3NO3 — CID 67359272

IUPAC3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESO=C1C(c2cc(Br)ccc2O)c2ccccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C20H13BrF3NO3/c21-11-5-7-16(26)14(9-11)18-13-3-1-2-4-15(13)25(19(18)27)10-12-6-8-17(28-12)20(22,23)24/h1-9,18,26H,10H2
InChIKeyCJQAASGWBZYHJY-UHFFFAOYSA-N
MW452.23 g/mol
LogP5.45
Rot. Bonds3

About 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (PubChem CID 67359272) has the molecular formula C20H13BrF3NO3 and a molecular weight of 452.23 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
PubChem CID67359272
Molecular FormulaC20H13BrF3NO3
Molecular Weight452.23 g/mol
Exact Mass451.00
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESO=C1C(c2cc(Br)ccc2O)c2ccccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C20H13BrF3NO3/c21-11-5-7-16(26)14(9-11)18-13-3-1-2-4-15(13)25(19(18)27)10-12-6-8-17(28-12)20(22,23)24/h1-9,18,26H,10H2
InChIKeyCJQAASGWBZYHJY-UHFFFAOYSA-N
XLogP5.45
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.23
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1'-((5-(trifluoromethyl)furan-2-yl)methyl)-2H-spiro[benzofuran-3,3'-indolin]-2'-one
CID 46194051
6-bromo-1'-((5-(trifluoromethyl)furan-2-yl)methyl)-2H-spiro[benzofuran-3,3'-indolin]-2'-one
CID 46194179
5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352237
3-(4-bromo-2-hydroxyphenyl)-3-hydroxy-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one
CID 67357070
3-(5-Bromo-2-hydroxyphenyl)-3-hydroxy-1-((5-(trifluoromethyl)furan-2-yl)methyl)indolin-2-one
CID 67357135
3-(4-Bromo-2-hydroxyphenyl)-1-((5-(trifluoromethyl)furan-2-yl)methyl)indolin-2-one
CID 67357163
6-Bromo-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3-dihydrochromene-4,3'-indole]-2'-one
CID 91589713
6-bromo-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one
CID 117791568
5-bromo-1'-[[5-(fluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 118444800
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 123976733
3-(5-Bromo-2-hydroxyphenyl)-3-hydroxy-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3a,4-dihydroindol-2-one
CID 141474143
3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3a,4-dihydro-3H-indol-2-one
CID 141474164

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (CID 67359272) is 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is O=C1C(c2cc(Br)ccc2O)c2ccccc2N1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The InChIKey is CJQAASGWBZYHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF3NO3/c21-11-5-7-16(26)14(9-11)18-13-3-1-2-4-15(13)25(19(18)27)10-12-6-8-17(28-12)20(22,23)24/h1-9,18,26H,10H2.
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one has a molecular weight of 452.23 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 67359272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).